#MD System 2.0 @Title neb0_image07 @Columns AsymmetricAtom AtomicNumber int 0 Connections string {{}} Fractional double {{0.0 0.0 0.0}} Name string {{}} Site int 1 WyckoffPosition int -1 @end @data 6 {} {0.218323327556 0.526297158824 0.331238974859} C1 1 1 14 {} {0.272253395334 0.489326763585 0.28947833441} Si1 2 1 14 {} {0.171635655129 0.534763974247 0.250262037023} Si2 3 1 8 {} {0.284813850343 0.522269862143 0.19155646822} O1 4 1 8 {} {0.312125366299 0.509713037979 0.360345141224} O2 5 1 6 {} {0.270300545746 0.396125068465 0.282466506907} C2 6 1 6 {} {0.140095748697 0.455063745839 0.232530021388} C3 7 1 8 {} {0.196123309376 0.560765900548 0.156016272298} O3 8 1 8 {} {0.136262500874 0.595849703474 0.277326808653} O4 9 1 14 {} {0.363625779635 0.538674513901 0.3653235618} Si3 10 1 7 {} {0.39768764233 0.475141153921 0.407486966161} N1 11 1 14 {} {0.451765810179 0.473214447067 0.364125814177} Si4 12 1 14 {} {0.377923163105 0.421104934669 0.49024586514} Si5 13 1 7 {} {0.34886879497 0.459143020225 0.575605019309} N2 14 1 7 {} {0.470042892637 0.555040893488 0.364846494911} N3 15 1 1 {} {0.206713480084 0.497673397445 0.389731164857} H1 16 1 1 {} {0.226192205091 0.577136952354 0.355416924057} H2 17 1 1 {} {0.259340186883 0.542501542076 0.16085974932} H3 18 1 1 {} {0.265136014454 0.373096047729 0.348266087156} H4 19 1 1 {} {0.302013181178 0.377063882025 0.255705695851} H5 20 1 1 {} {0.243524921463 0.379039876864 0.237760736352} H6 21 1 1 {} {0.113583410602 0.461267919297 0.182486668848} H7 22 1 1 {} {0.124556014008 0.437345215449 0.294721626929} H8 23 1 1 {} {0.16249398886 0.415248401556 0.208937062032} H9 24 1 1 {} {0.177603161212 0.583732333523 0.11277228074} H10 25 1 1 {} {0.10788363837 0.583466484346 0.303343202858} H11 26 1 1 {} {0.380050190804 0.558449288789 0.275606176804} H12 27 1 1 {} {0.362639423193 0.597293556384 0.426577142146} H13 28 1 1 {} {0.476885389361 0.422713337457 0.418133377489} H14 29 1 1 {} {0.45485251854 0.455183500472 0.267481243931} H15 30 1 1 {} {0.346607509939 0.372196564593 0.449722428394} H16 31 1 1 {} {0.417559086746 0.387178065634 0.529088938091} H17 32 1 1 {} {0.317245981957 0.475711592996 0.564350744196} H18 33 1 1 {} {0.364945017639 0.489660142276 0.619453668242} H19 34 1 1 {} {0.496496740474 0.567755116148 0.325513208747} H20 35 1 1 {} {0.474749514304 0.576606959465 0.425670484391} H21 36 1 6 {} {0.642746724724 0.640029469861 0.481368147808} C4 37 1 14 {} {0.604039678939 0.576379951738 0.43431390792} Si6 38 1 14 {} {0.639552430326 0.726318089098 0.436399667283} Si7 39 1 8 {} {0.599498063826 0.584310676184 0.325049578589} O5 40 1 8 {} {0.622327347458 0.500786566879 0.457694586013} O6 41 1 6 {} {0.548178200801 0.583220726658 0.487822801938} C5 42 1 6 {} {0.591943063718 0.776611618948 0.481298394181} C6 43 1 8 {} {0.635181446839 0.715372956016 0.326063521502} O7 44 1 8 {} {0.687138180647 0.767665838315 0.452135864326} O8 45 1 14 {} {0.632780711156 0.422955991973 0.429916602646} Si8 46 1 7 {} {0.587334220712 0.370791217139 0.447794657583} N4 47 1 14 {} {0.567807430344 0.321739042222 0.359463969675} Si9 48 1 14 {} {0.562769907937 0.36750235827 0.554851928785} Si10 49 1 7 {} {0.598124543747 0.386365621975 0.641140122732} N5 50 1 7 {} {0.602733857848 0.258806540983 0.321906453353} N6 51 1 1 {} {0.637778694793 0.640994471751 0.554200039822} H22 52 1 1 {} {0.676580859093 0.621099066002 0.469003988865} H23 53 1 1 {} {0.612191864162 0.626046098142 0.302237055848} H24 54 1 1 {} {0.547052548494 0.573023817178 0.559998864909} H25 55 1 1 {} {0.529312519304 0.542738865552 0.456118133614} H26 56 1 1 {} {0.531893700576 0.63114725584 0.473069826894} H27 57 1 1 {} {0.591191017311 0.827042640336 0.451865497465} H28 58 1 1 {} {0.593983364013 0.782185149226 0.554238269973} H29 59 1 1 {} {0.55986336304 0.752541553646 0.466107458935} H30 60 1 1 {} {0.643219842407 0.752758548838 0.28811067957} H31 61 1 1 {} {0.687478300561 0.802664556098 0.496846142093} H32 62 1 1 {} {0.644208710644 0.418084901192 0.33322050438} H33 63 1 1 {} {0.67190564427 0.402809020103 0.484732629397} H34 64 1 1 {} {0.526122555696 0.289726548384 0.39240670346} H35 65 1 1 {} {0.559671825652 0.364472761397 0.280184522584} H36 66 1 1 {} {0.525520144662 0.417052238587 0.561335278635} H37 67 1 1 {} {0.545485155086 0.298109573751 0.566280271504} H38 68 1 1 {} {0.604413022741 0.434689553237 0.656411879496} H39 69 1 1 {} {0.624849647501 0.357348489937 0.654588921859} H40 70 1 1 {} {0.627497740039 0.270078841154 0.277769170264} H41 71 1 1 {} {0.612382169014 0.221017973093 0.363409183361} H42 72 1 @end @Columns Cell Constraints string {a b c A B G} Origin int {{0 0 0}} Parameters double {{10.0 10.0 10.0 90.0 90.0 90.0}} PrimitiveData double {{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}} RotationMatrix double {{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}} SpaceGroup string P1 SpaceGroupNumber int 1 ToCartesians double {{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}} ToFractionals double {{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}} @end @data {a b c A B G} {0 0 0} {30 20 15 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{30 0 0} {0 20 0} {0 0 15}} {{0.0333333333333 0 0} {0 0.05 0} {0 0 0.0666666666667}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 56 41 0 0 50 47 0 0 2 0 0 0 58 42 0 0 44 38 0 0 70 50 0 0 69 49 0 0 34 14 0 0 48 46 0 0 52 36 0 0 6 2 0 0 49 48 0 0 62 45 0 0 21 6 0 0 7 2 0 0 22 6 0 0 8 2 0 0 27 9 0 0 33 13 0 0 37 36 0 0 23 6 0 0 59 42 0 0 12 10 0 0 54 41 0 0 51 36 0 0 61 44 0 0 16 0 0 0 19 5 0 0 20 5 0 0 13 12 0 0 1 0 0 0 43 38 0 0 10 9 0 0 68 49 0 0 53 39 0 0 3 1 0 0 47 46 0 0 60 43 0 0 4 1 0 0 18 5 0 0 5 1 0 0 67 48 0 0 26 9 0 0 32 13 0 0 46 45 0 0 17 3 0 0 11 10 0 0 9 4 0 0 15 0 0 0 25 8 0 0 31 12 0 0 42 38 0 0 64 47 0 0 24 7 0 0 29 11 0 0 40 37 0 0 39 37 0 0 41 37 0 0 66 48 0 0 57 42 0 0 38 36 0 0 65 47 0 0 30 12 0 0 28 11 0 0 71 50 0 0 45 40 0 0 35 14 0 0 55 41 0 0 14 11 0 0 63 45 0 0 @end @Columns Bond AsymmetricBond reference AsymmetricBond Atom1 reference Atom Atom2 reference Atom CellOffset2 int {{0 0 0}} Key int 0 @end @data 0 56 41 {0 0 0} 0 1 47 50 {0 0 0} 0 2 0 2 {0 0 0} 0 3 58 42 {0 0 0} 0 4 38 44 {0 0 0} 0 5 50 70 {0 0 0} 0 6 49 69 {0 0 0} 0 7 14 34 {0 0 0} 0 8 46 48 {0 0 0} 0 9 36 52 {0 0 0} 0 10 2 6 {0 0 0} 0 11 48 49 {0 0 0} 0 12 45 62 {0 0 0} 0 13 21 6 {0 0 0} 0 14 7 2 {0 0 0} 0 15 22 6 {0 0 0} 0 16 8 2 {0 0 0} 0 17 9 27 {0 0 0} 0 18 13 33 {0 0 0} 0 19 36 37 {0 0 0} 0 20 23 6 {0 0 0} 0 21 59 42 {0 0 0} 0 22 10 12 {0 0 0} 0 23 41 54 {0 0 0} 0 24 51 36 {0 0 0} 0 25 44 61 {0 0 0} 0 26 0 16 {0 0 0} 0 27 5 19 {0 0 0} 0 28 5 20 {0 0 0} 0 29 12 13 {0 0 0} 0 30 0 1 {0 0 0} 0 31 38 43 {0 0 0} 0 32 10 9 {0 0 0} 0 33 49 68 {0 0 0} 0 34 39 53 {0 0 0} 0 35 3 1 {0 0 0} 0 36 46 47 {0 0 0} 0 37 43 60 {0 0 0} 0 38 4 1 {0 0 0} 0 39 18 5 {0 0 0} 0 40 1 5 {0 0 0} 0 41 48 67 {0 0 0} 0 42 9 26 {0 0 0} 0 43 13 32 {0 0 0} 0 44 45 46 {0 0 0} 0 45 3 17 {0 0 0} 0 46 10 11 {0 0 0} 0 47 4 9 {0 0 0} 0 48 15 0 {0 0 0} 0 49 8 25 {0 0 0} 0 50 12 31 {0 0 0} 0 51 38 42 {0 0 0} 0 52 64 47 {0 0 0} 0 53 7 24 {0 0 0} 0 54 11 29 {0 0 0} 0 55 40 37 {0 0 0} 0 56 39 37 {0 0 0} 0 57 37 41 {0 0 0} 0 58 66 48 {0 0 0} 0 59 42 57 {0 0 0} 0 60 38 36 {0 0 0} 0 61 65 47 {0 0 0} 0 62 30 12 {0 0 0} 0 63 28 11 {0 0 0} 0 64 50 71 {0 0 0} 0 65 45 40 {0 0 0} 0 66 14 35 {0 0 0} 0 67 55 41 {0 0 0} 0 68 11 14 {0 0 0} 0 69 63 45 {0 0 0} 0 @end @Columns Subset Color string {{#65d9f0}} Criteria string {{}} DisplayLine int 0 IeqJ int 1 IgtJ int 0 IltJ int 0 Length int 1 Name string {{}} Table string {{}} Type string atom UseColor int 0 @end @data @end